#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kjs s PRO 2 N 0.00 3.96 0.00 0.03 0.04 -1.26 -4.93 135.00 132.84 2kjs s PRO 2 Ca 0.00 0.91 0.00 0.00 0.04 0.00 0.00 61.00 61.95 2kjs s PRO 2 Cb 0.00 -3.79 0.00 0.00 0.04 0.00 0.00 34.50 30.75 2kjs s PRO 2 CO 0.00 -1.05 0.00 0.25 0.04 0.00 0.00 177.00 176.24 2kjs n THR 3 N 6.17 0.00 -0.16 1.26 -2.24 -1.26 -4.18 114.28 113.87 2kjs n THR 3 Ca 0.12 0.39 -0.11 0.00 -2.27 0.00 0.00 64.05 62.17 2kjs n THR 3 Cb 0.48 -1.39 -0.00 0.00 -2.10 0.00 0.00 70.33 67.32 2kjs n THR 3 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 2kjs h LEU 4 N 0.00 0.98 -0.82 3.22 4.07 -1.94 -0.03 115.31 120.79 2kjs h LEU 4 Ca 0.00 -0.39 -0.01 0.00 0.08 0.00 0.00 57.88 57.57 2kjs h LEU 4 Cb 0.00 -0.27 -0.04 0.00 1.08 0.00 0.00 40.66 41.43 2kjs h LEU 4 CO 0.00 1.15 0.49 -0.78 -1.08 0.00 0.00 178.44 178.21 2kjs h ASP 5 N 0.81 0.99 1.74 -0.43 1.82 -1.97 0.66 116.42 120.05 2kjs h ASP 5 Ca 0.11 -0.07 -0.00 0.00 -0.39 0.00 0.00 57.03 56.68 2kjs h ASP 5 Cb 0.75 -0.25 -0.00 0.00 0.68 0.00 0.00 39.33 40.51 2kjs h ASP 5 CO 0.06 0.77 -0.26 0.00 -1.61 0.00 0.00 179.24 178.21 2kjs h ALA 6 N 1.26 0.87 -0.03 -0.78 0.00 -1.71 -3.21 119.26 115.67 2kjs h ALA 6 Ca 0.29 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.18 2kjs h ALA 6 Cb -0.03 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2kjs h ALA 6 CO -0.05 0.03 -0.00 1.28 0.00 0.00 0.00 179.25 180.50 2kjs n LEU 7 N -3.01 2.75 -0.03 0.00 4.77 -0.03 -4.35 117.00 117.11 2kjs n LEU 7 Ca 0.03 -0.92 -0.14 0.00 -0.03 0.00 0.00 56.01 54.95 2kjs n LEU 7 Cb 0.54 -0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.53 2kjs n LEU 7 CO 0.36 0.46 0.49 0.71 -1.33 0.00 0.00 177.39 178.08 2kjs h THR 8 N 4.32 1.48 -0.27 -5.08 1.35 0.32 -2.61 112.91 112.42 2kjs h THR 8 Ca 0.00 -1.64 0.05 0.00 -0.55 0.00 0.00 66.41 64.27 2kjs h THR 8 Cb 0.92 2.46 -0.04 0.00 -1.73 0.00 0.00 68.15 69.75 2kjs h THR 8 CO 0.00 0.45 -0.01 -0.65 -0.25 0.00 0.00 175.52 175.06 2kjs h PRO 9 N -0.41 0.07 -0.19 4.72 0.11 -1.76 0.46 132.00 135.01 2kjs h PRO 9 Ca -0.01 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.08 2kjs h PRO 9 Cb 0.82 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.91 2kjs h PRO 9 CO 0.03 0.04 0.05 0.82 -0.21 0.00 0.00 178.00 178.74 2kjs h ILE 10 N 0.07 1.19 -0.27 4.15 2.04 -1.80 0.20 117.51 123.08 2kjs h ILE 10 Ca 0.13 -0.61 -0.01 0.00 1.00 0.00 0.00 64.86 65.37 2kjs h ILE 10 Cb 0.18 1.25 -0.01 0.00 -0.74 0.00 0.00 36.82 37.49 2kjs h ILE 10 CO -0.23 0.19 0.14 -0.26 0.00 0.00 0.00 178.15 177.99 2kjs h PHE 11 N 0.12 0.39 -0.61 1.37 -1.00 -1.18 0.40 116.94 116.43 2kjs h PHE 11 Ca 0.06 -0.01 -0.04 0.00 2.81 0.00 0.00 57.97 60.78 2kjs h PHE 11 Cb 0.24 -0.12 -0.03 0.00 3.61 0.00 0.00 35.95 39.66 2kjs h PHE 11 CO 0.00 0.34 0.22 0.00 -1.61 0.00 0.00 178.31 177.27 2kjs h ARG 12 N 0.32 0.93 -0.29 1.51 3.08 0.00 0.16 114.38 120.08 2kjs h ARG 12 Ca 0.09 -0.18 -0.09 0.00 0.07 0.00 0.00 59.98 59.88 2kjs h ARG 12 Cb 0.10 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.00 2kjs h ARG 12 CO -0.01 0.80 -0.16 0.37 -1.07 0.00 0.00 179.97 179.90 2kjs h GLN 13 N 0.86 0.62 -0.33 0.04 4.15 -0.36 2.50 115.11 122.59 2kjs h GLN 13 Ca 0.20 -0.28 -0.04 0.00 0.77 0.00 0.00 58.65 59.30 2kjs h GLN 13 Cb 0.24 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.90 2kjs h GLN 13 CO -0.01 0.86 0.03 0.28 -1.93 0.00 0.00 178.83 178.06 2kjs h VAL 14 N 0.36 1.25 -0.38 2.39 2.07 -0.05 -2.98 116.25 118.90 2kjs h VAL 14 Ca 0.06 -0.88 0.00 0.00 0.82 0.00 0.00 66.70 66.70 2kjs h VAL 14 Cb 0.68 1.19 0.00 0.00 -1.52 0.00 0.00 31.29 31.64 2kjs h VAL 14 CO 0.05 0.29 0.00 0.49 0.02 0.00 0.00 177.57 178.42 2kjs n PHE 15 N -4.57 0.50 -3.70 1.57 3.72 0.54 -4.95 117.46 110.56 2kjs n PHE 15 Ca -0.02 -0.25 -0.24 0.00 -0.05 0.00 0.00 57.45 56.89 2kjs n PHE 15 Cb 0.24 0.00 0.05 0.00 -0.94 0.00 0.00 39.48 38.83 2kjs n PHE 15 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 2kjs n ASP 16 N 1.29 -4.06 -3.98 4.37 -0.08 0.69 -2.55 116.55 112.23 2kjs n ASP 16 Ca 0.19 -0.69 -0.42 0.00 -1.51 0.00 0.00 54.79 52.36 2kjs n ASP 16 Cb 0.55 -4.45 0.02 0.00 2.34 0.00 0.00 41.12 39.58 2kjs n ASP 16 CO 0.00 0.00 0.00 -0.90 0.12 0.00 0.00 177.20 176.42 2kjs n ASP 17 N -2.98 -4.27 -2.69 1.67 5.75 0.65 -4.75 116.55 109.93 2kjs n ASP 17 Ca -0.09 -1.22 -0.24 0.00 -0.01 0.00 0.00 54.79 53.23 2kjs n ASP 17 Cb 0.59 -2.15 -0.09 0.00 -1.03 0.00 0.00 41.12 38.44 2kjs n ASP 17 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 2kjs n ASP 18 N -2.32 6.41 -0.75 -1.12 -0.08 -1.06 -4.50 116.55 113.14 2kjs n ASP 18 Ca -0.11 -2.45 -0.09 0.00 -1.51 0.00 0.00 54.79 50.62 2kjs n ASP 18 Cb 0.58 -1.37 -0.04 0.00 2.34 0.00 0.00 41.12 42.62 2kjs n ASP 18 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 2kjs n SER 19 N 3.16 -5.50 -4.71 1.67 2.88 -1.26 -4.92 113.62 104.95 2kjs n SER 19 Ca 0.56 0.23 -0.42 0.00 -1.33 0.00 0.00 58.87 57.91 2kjs n SER 19 Cb 0.50 -3.98 -0.03 0.00 -0.75 0.00 0.00 64.21 59.96 2kjs n SER 19 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 2kjs s ILE 20 N -1.78 4.69 -0.90 2.46 1.01 -1.26 -4.92 121.20 120.49 2kjs s ILE 20 Ca 0.00 1.93 0.22 0.00 0.00 0.00 0.00 60.65 62.79 2kjs s ILE 20 Cb 0.00 -4.24 -0.21 0.00 0.01 0.00 0.00 42.46 38.03 2kjs s ILE 20 CO 0.00 0.15 0.93 1.33 0.00 0.00 0.00 174.94 177.35 2kjs n VAL 21 N 3.91 0.01 -1.98 2.92 0.24 -1.26 -4.99 118.33 117.18 2kjs n VAL 21 Ca 0.07 -0.05 0.00 0.00 -2.04 0.00 0.00 64.34 62.32 2kjs n VAL 21 Cb 0.50 0.79 0.00 0.00 -1.47 0.00 0.00 33.84 33.66 2kjs n VAL 21 CO 0.00 0.00 0.00 -0.11 -2.14 0.00 0.00 176.83 174.58 2kjs n LEU 22 N -1.58 -5.23 -3.99 1.34 0.00 -1.26 -5.06 117.00 101.22 2kjs n LEU 22 Ca 0.03 2.99 -0.08 0.00 0.00 0.00 0.00 56.01 58.95 2kjs n LEU 22 Cb 0.35 -2.96 -0.09 0.00 0.00 0.00 0.00 43.42 40.73 2kjs n LEU 22 CO 0.42 -1.28 -0.21 0.42 0.00 0.00 0.00 177.39 176.74 2kjs s THR 23 N -0.86 0.16 0.26 1.96 -4.23 -1.26 -5.04 115.64 106.62 2kjs s THR 23 Ca 0.00 -1.52 -0.02 0.00 -1.18 0.00 0.00 61.69 58.97 2kjs s THR 23 Cb 0.00 -1.54 0.12 0.00 1.34 0.00 0.00 72.50 72.42 2kjs s THR 23 CO 0.00 -0.72 1.77 0.08 -0.54 0.00 0.00 174.62 175.22 2kjs h ARG 24 N 2.89 0.83 0.00 3.99 0.11 -1.96 -1.47 114.38 118.77 2kjs h ARG 24 Ca -0.34 -0.21 0.00 0.00 0.10 0.00 0.00 59.98 59.53 2kjs h ARG 24 Cb 1.18 -0.11 0.00 0.00 1.11 0.00 0.00 29.97 32.15 2kjs h ARG 24 CO 0.59 0.80 0.00 -1.91 0.10 0.00 0.00 179.97 179.56 2kjs n GLU 25 N -4.23 0.18 -1.71 0.08 4.07 -1.26 -1.80 120.64 115.97 2kjs n GLU 25 Ca 0.03 0.42 -0.43 0.00 -0.06 0.00 0.00 57.16 57.12 2kjs n GLU 25 Cb 0.28 -1.85 -0.01 0.00 -0.06 0.00 0.00 31.44 29.79 2kjs n GLU 25 CO 0.00 0.00 0.00 2.41 -0.06 0.00 0.00 177.13 179.48 2kjs n THR 26 N -2.20 1.56 -4.25 6.31 -1.04 -0.55 -4.91 114.28 109.20 2kjs n THR 26 Ca 0.02 -0.39 -0.15 0.00 -2.04 0.00 0.00 64.05 61.50 2kjs n THR 26 Cb 0.22 -1.67 -0.10 0.00 -1.82 0.00 0.00 70.33 66.96 2kjs n THR 26 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 2kjs s SER 27 N 0.01 0.69 0.22 8.00 0.15 -1.26 -2.48 113.70 119.04 2kjs s SER 27 Ca 0.60 -1.46 -0.07 0.00 0.70 0.00 0.00 55.95 55.72 2kjs s SER 27 Cb -0.56 0.37 0.18 0.00 -1.71 0.00 0.00 66.02 64.30 2kjs s SER 27 CO 0.57 -0.86 1.78 0.00 1.20 0.00 0.00 173.24 175.93 2kjs h ALA 28 N 2.47 1.05 0.00 5.45 0.00 -1.90 -1.88 119.26 124.45 2kjs h ALA 28 Ca -0.35 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.34 2kjs h ALA 28 Cb 1.25 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.74 2kjs h ALA 28 CO 0.52 0.66 -0.10 -2.95 0.00 0.00 0.00 179.25 177.38 2kjs h ASN 29 N 1.11 0.00 -0.61 0.00 7.08 -1.96 -3.08 115.58 118.11 2kjs h ASN 29 Ca 0.25 0.00 -0.04 0.00 -3.08 0.00 0.00 56.30 53.43 2kjs h ASN 29 Cb 0.25 0.00 -0.03 0.00 -2.08 0.00 0.00 38.32 36.47 2kjs h ASN 29 CO -0.02 0.10 0.22 -0.78 -2.08 0.00 0.00 177.43 174.87 2kjs h ASP 30 N 0.00 0.86 -3.48 6.14 3.58 -1.73 -3.40 116.42 118.39 2kjs h ASP 30 Ca -0.00 -0.19 -0.66 0.00 0.42 0.00 0.00 57.03 56.60 2kjs h ASP 30 Cb 0.69 -0.22 -0.27 0.00 1.72 0.00 0.00 39.33 41.24 2kjs h ASP 30 CO 0.01 0.82 -0.69 -0.63 -2.88 0.00 0.00 179.24 175.87 2kjs s ILE 31 N -5.49 3.55 0.30 2.25 1.01 -1.17 -4.98 121.20 116.67 2kjs s ILE 31 Ca -0.13 -0.54 0.02 0.00 0.00 0.00 0.00 60.65 60.01 2kjs s ILE 31 Cb 0.13 -2.68 0.10 0.00 0.01 0.00 0.00 42.46 40.02 2kjs s ILE 31 CO 0.80 0.33 1.78 -0.78 0.00 0.00 0.00 174.94 177.07 2kjs h ASP 32 N 8.14 0.53 0.00 3.58 3.58 -1.78 -2.08 116.42 128.38 2kjs h ASP 32 Ca -0.38 -0.14 0.00 0.00 0.42 0.00 0.00 57.03 56.92 2kjs h ASP 32 Cb 1.15 -0.14 0.00 0.00 1.72 0.00 0.00 39.33 42.06 2kjs h ASP 32 CO 0.60 0.69 0.00 0.00 -2.88 0.00 0.00 179.24 177.65 2kjs n ALA 33 N -2.48 1.89 -3.09 -0.78 0.00 -1.26 -4.36 120.51 110.43 2kjs n ALA 33 Ca 0.01 0.00 -0.45 0.00 0.00 0.00 0.00 53.44 53.00 2kjs n ALA 33 Cb 0.34 -1.00 -0.01 0.00 0.00 0.00 0.00 19.45 18.78 2kjs n ALA 33 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 2kjs s TRP 34 N -1.87 3.68 0.69 0.00 -0.11 -0.79 -4.96 118.94 115.58 2kjs s TRP 34 Ca 0.00 -2.16 -0.08 0.00 1.22 0.00 0.00 56.10 55.08 2kjs s TRP 34 Cb 0.00 -4.13 0.04 0.00 -1.50 0.00 0.00 33.47 27.88 2kjs s TRP 34 CO 0.00 -1.25 1.02 -0.51 -4.62 0.00 0.00 176.95 171.59 2kjs s ASP 35 N 2.48 5.08 0.30 5.86 1.01 -1.26 -4.94 116.67 125.21 2kjs s ASP 35 Ca 0.36 0.69 -0.00 0.00 0.71 0.00 0.00 52.55 54.30 2kjs s ASP 35 Cb -0.06 -1.43 0.48 0.00 1.01 0.00 0.00 42.92 42.92 2kjs s ASP 35 CO -0.04 -1.46 1.91 0.28 0.21 0.00 0.00 175.17 176.07 2kjs h SER 36 N -0.56 0.79 -0.65 0.27 0.02 -1.98 -2.44 113.55 109.01 2kjs h SER 36 Ca -0.45 -0.08 -0.03 0.00 -0.84 0.00 0.00 61.79 60.39 2kjs h SER 36 Cb 1.29 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 63.60 2kjs h SER 36 CO 0.62 0.68 0.28 -0.07 -1.14 0.00 0.00 176.83 177.19 2kjs h LEU 37 N 0.88 0.89 -0.59 5.07 -0.00 -1.99 -1.35 115.31 118.22 2kjs h LEU 37 Ca 0.22 -0.16 -0.01 0.00 -0.00 0.00 0.00 57.88 57.93 2kjs h LEU 37 Cb 0.10 -0.23 -0.03 0.00 -0.00 0.00 0.00 40.66 40.50 2kjs h LEU 37 CO -0.03 0.80 0.32 -1.28 -0.00 0.00 0.00 178.44 178.26 2kjs h SER 38 N 0.91 0.73 -0.19 -0.43 0.87 -1.82 0.23 113.55 113.85 2kjs h SER 38 Ca 0.22 -0.09 -0.02 0.00 -1.23 0.00 0.00 61.79 60.67 2kjs h SER 38 Cb 0.18 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 61.95 2kjs h SER 38 CO -0.02 0.61 0.06 -0.74 -0.53 0.00 0.00 176.83 176.21 2kjs h HIS 39 N 0.79 0.31 -0.58 2.24 -0.00 -1.21 0.92 115.15 117.63 2kjs h HIS 39 Ca 0.21 -0.03 -0.04 0.00 -0.00 0.00 0.00 60.37 60.50 2kjs h HIS 39 Cb 0.04 -0.09 -0.02 0.00 -0.00 0.00 0.00 27.41 27.33 2kjs h HIS 39 CO -0.01 0.40 0.19 1.98 -0.00 0.00 0.00 177.93 180.49 2kjs h MET 40 N 0.13 0.90 -0.67 5.26 -1.53 -1.06 -2.00 114.93 115.96 2kjs h MET 40 Ca 0.06 -0.19 -0.06 0.00 -3.44 0.00 0.00 59.70 56.08 2kjs h MET 40 Cb 0.23 -0.13 -0.03 0.00 -0.55 0.00 0.00 31.60 31.12 2kjs h MET 40 CO -0.00 0.80 0.20 -0.91 0.14 0.00 0.00 176.91 177.13 2kjs h ASN 41 N 0.81 0.97 -0.66 1.39 2.35 -0.40 -2.05 115.58 118.00 2kjs h ASN 41 Ca 0.19 -0.18 -0.02 0.00 -0.55 0.00 0.00 56.30 55.74 2kjs h ASN 41 Cb 0.27 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 38.35 2kjs h ASN 41 CO -0.01 0.91 0.34 0.25 -1.65 0.00 0.00 177.43 177.28 2kjs h LEU 42 N 0.99 0.84 -0.56 1.61 5.85 -0.45 -1.46 115.31 122.14 2kjs h LEU 42 Ca 0.22 -0.11 -0.03 0.00 0.84 0.00 0.00 57.88 58.80 2kjs h LEU 42 Cb 0.30 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 2kjs h LEU 42 CO -0.01 0.71 0.23 0.40 -0.34 0.00 0.00 178.44 179.43 2kjs h ILE 43 N 0.90 1.22 -0.47 4.05 2.04 -1.01 -1.97 117.51 122.27 2kjs h ILE 43 Ca 0.23 -0.68 -0.00 0.00 1.00 0.00 0.00 64.86 65.41 2kjs h ILE 43 Cb 0.07 0.63 -0.02 0.00 -0.74 0.00 0.00 36.82 36.75 2kjs h ILE 43 CO -0.03 0.26 0.28 0.58 0.00 0.00 0.00 178.15 179.24 2kjs h VAL 44 N 0.76 1.15 -0.50 1.67 2.07 -1.04 -0.56 116.25 119.79 2kjs h VAL 44 Ca 0.19 -0.35 0.01 0.00 0.82 0.00 0.00 66.70 67.37 2kjs h VAL 44 Cb 0.19 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 30.46 2kjs h VAL 44 CO -0.02 0.15 0.32 -1.28 0.02 0.00 0.00 177.57 176.76 2kjs h SER 45 N 0.62 0.54 -0.79 0.57 0.87 -1.05 -2.04 113.55 112.28 2kjs h SER 45 Ca 0.17 -0.01 -0.04 0.00 -1.23 0.00 0.00 61.79 60.68 2kjs h SER 45 Cb 0.00 -0.13 -0.04 0.00 -0.44 0.00 0.00 62.40 61.80 2kjs h SER 45 CO -0.03 0.39 0.33 -0.07 -0.53 0.00 0.00 176.83 176.92 2kjs h LEU 46 N 0.64 1.07 0.57 2.23 3.38 -1.05 0.26 115.31 122.41 2kjs h LEU 46 Ca 0.19 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 2kjs h LEU 46 Cb -0.04 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.42 2kjs h LEU 46 CO -0.06 0.94 -0.38 -0.08 0.09 0.00 0.00 178.44 178.95 2kjs h GLU 47 N 1.13 -0.88 -0.30 1.13 4.81 -0.60 -2.48 114.58 117.39 2kjs h GLU 47 Ca 0.26 0.06 -0.06 0.00 -0.13 0.00 0.00 59.36 59.49 2kjs h GLU 47 Cb 0.19 0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.76 2kjs h GLU 47 CO -0.03 -0.59 -0.06 0.28 -0.73 0.00 0.00 179.01 177.88 2kjs h VAL 48 N -0.91 1.28 0.00 0.32 2.07 -1.33 0.54 116.25 118.22 2kjs h VAL 48 Ca -0.07 -1.09 0.00 0.00 0.82 0.00 0.00 66.70 66.36 2kjs h VAL 48 Cb 0.76 1.37 0.00 0.00 -1.52 0.00 0.00 31.29 31.90 2kjs h VAL 48 CO 0.05 0.35 0.00 1.41 0.02 0.00 0.00 177.57 179.40 2kjs n HIS 49 N -4.49 0.00 0.91 1.57 8.25 0.90 -1.76 115.22 120.60 2kjs n HIS 49 Ca -0.03 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.52 2kjs n HIS 49 Cb 0.31 -0.14 0.47 0.00 1.12 0.00 0.00 29.99 31.76 2kjs n HIS 49 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 2kjs n TYR 50 N -1.30 0.00 -3.52 4.41 4.01 -0.94 -4.89 117.16 114.94 2kjs n TYR 50 Ca 0.00 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.53 2kjs n TYR 50 Cb 0.00 -0.25 0.05 0.00 -0.31 0.00 0.00 39.34 38.84 2kjs n TYR 50 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 2kjs n LYS 51 N -1.25 -3.50 -4.52 -0.72 4.76 0.05 -5.01 118.16 107.97 2kjs n LYS 51 Ca 0.09 0.69 -0.25 0.00 -2.87 0.00 0.00 58.31 55.98 2kjs n LYS 51 Cb 0.14 -5.24 -0.11 0.00 -1.84 0.00 0.00 35.03 27.98 2kjs n LYS 51 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 2kjs s ILE 52 N -3.50 1.78 -0.03 -0.18 1.01 -0.43 -5.01 121.20 114.84 2kjs s ILE 52 Ca 0.25 -2.07 0.02 0.00 0.00 0.00 0.00 60.65 58.85 2kjs s ILE 52 Cb -0.06 -2.77 -0.03 0.00 0.01 0.00 0.00 42.46 39.61 2kjs s ILE 52 CO 0.79 -0.10 -0.06 -0.54 0.00 0.00 0.00 174.94 175.02 2kjs s LYS 53 N -3.74 2.67 -0.04 2.79 1.02 -1.26 -4.68 119.74 116.51 2kjs s LYS 53 Ca 0.34 -0.62 0.05 0.00 0.02 0.00 0.00 55.97 55.75 2kjs s LYS 53 Cb 0.07 -2.56 -0.00 0.00 -0.52 0.00 0.00 37.83 34.81 2kjs s LYS 53 CO 0.16 0.64 -0.18 -0.06 -0.92 0.00 0.00 175.35 174.99 2kjs s PHE 54 N -0.90 1.79 -0.04 3.18 0.40 -1.26 -5.14 117.98 116.01 2kjs s PHE 54 Ca 0.15 -0.51 -0.04 0.00 -0.60 0.00 0.00 56.93 55.94 2kjs s PHE 54 Cb -0.11 -1.20 -0.04 0.00 0.51 0.00 0.00 43.02 42.18 2kjs s PHE 54 CO 0.04 -0.16 0.16 0.00 0.70 0.00 0.00 175.22 175.96 2kjs s ALA 55 N -0.01 3.90 0.23 5.36 0.00 -1.26 -5.00 121.76 124.98 2kjs s ALA 55 Ca -0.03 -0.74 -0.07 0.00 0.00 0.00 0.00 51.96 51.12 2kjs s ALA 55 Cb -0.11 -1.87 0.22 0.00 0.00 0.00 0.00 23.12 21.35 2kjs s ALA 55 CO 0.02 0.71 1.87 1.25 0.00 0.00 0.00 175.76 179.61 2kjs h LEU 56 N 4.16 1.13 -0.99 0.00 5.85 -2.00 -2.23 115.31 121.22 2kjs h LEU 56 Ca -0.50 -0.08 0.09 0.00 0.84 0.00 0.00 57.88 58.22 2kjs h LEU 56 Cb 1.20 -0.29 -0.08 0.00 0.37 0.00 0.00 40.66 41.87 2kjs h LEU 56 CO 0.65 0.88 0.63 1.23 -0.34 0.00 0.00 178.44 181.50 2kjs h GLY 57 N 1.28 1.56 1.38 3.75 0.00 -1.99 0.40 103.07 109.46 2kjs h GLY 57 Ca 0.33 -0.45 -0.12 0.00 0.00 0.00 0.00 47.33 47.10 2kjs h GLY 57 CO -0.06 0.25 -0.25 0.83 0.00 0.00 0.00 176.54 177.31 2kjs h GLU 58 N 1.08 0.71 -0.00 4.80 5.08 -1.83 -2.47 114.58 121.95 2kjs h GLU 58 Ca 0.46 -0.30 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 2kjs h GLU 58 Cb 0.31 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.54 2kjs h GLU 58 CO -0.22 0.89 -0.08 1.28 -1.00 0.00 0.00 179.01 179.88 2kjs n LEU 59 N -4.10 0.16 -0.20 1.33 7.99 -0.36 -3.63 117.00 118.19 2kjs n LEU 59 Ca -0.00 0.27 -0.06 0.00 -0.01 0.00 0.00 56.01 56.21 2kjs n LEU 59 Cb 0.44 -0.34 0.10 0.00 -0.11 0.00 0.00 43.42 43.52 2kjs n LEU 59 CO 0.44 0.03 0.93 -0.61 -1.51 0.00 0.00 177.39 176.68 2kjs h GLN 60 N 0.12 1.00 -0.01 3.23 5.75 0.24 -2.51 115.11 122.93 2kjs h GLN 60 Ca 0.00 -0.24 0.00 0.00 -0.15 0.00 0.00 58.65 58.26 2kjs h GLN 60 Cb 0.41 -0.13 0.00 0.00 1.07 0.00 0.00 27.48 28.83 2kjs h GLN 60 CO 0.00 0.91 -0.29 1.63 -2.65 0.00 0.00 178.83 178.43 2kjs n LYS 61 N -4.23 1.21 -2.65 1.69 5.02 -1.24 -4.88 118.16 113.07 2kjs n LYS 61 Ca 0.04 -0.87 -0.42 0.00 -2.02 0.00 0.00 58.31 55.04 2kjs n LYS 61 Cb 0.27 -1.48 -0.03 0.00 -0.02 0.00 0.00 35.03 33.77 2kjs n LYS 61 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 2kjs s LEU 62 N -2.39 4.24 0.00 -0.35 1.98 -0.95 -4.82 118.68 116.39 2kjs s LEU 62 Ca 0.24 1.56 0.02 0.00 -2.89 0.00 0.00 54.13 53.06 2kjs s LEU 62 Cb 0.19 -3.55 0.03 0.00 0.66 0.00 0.00 46.19 43.52 2kjs s LEU 62 CO 0.50 -0.49 0.78 2.29 -1.89 0.00 0.00 176.35 177.54 2kjs n LYS 63 N 5.16 0.00 -3.78 1.98 2.85 -1.26 -4.97 118.16 118.14 2kjs n LYS 63 Ca 0.09 -0.60 -0.13 0.00 -1.05 0.00 0.00 58.31 56.63 2kjs n LYS 63 Cb 0.48 0.15 -0.11 0.00 -0.65 0.00 0.00 35.03 34.90 2kjs n LYS 63 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 177.40 178.56 2kjs s ASN 64 N -0.60 -0.27 0.15 -5.58 2.47 -1.26 -4.74 114.94 105.11 2kjs s ASN 64 Ca 0.02 0.50 -0.15 0.00 0.42 0.00 0.00 52.86 53.65 2kjs s ASN 64 Cb 0.03 0.54 0.03 0.00 -1.45 0.00 0.00 41.25 40.39 2kjs s ASN 64 CO -0.01 -0.13 1.77 0.58 -3.72 0.00 0.00 177.10 175.59 2kjs h VAL 65 N 4.64 1.15 -0.84 -5.21 2.07 -1.66 -0.75 116.25 115.65 2kjs h VAL 65 Ca -0.26 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 66.88 2kjs h VAL 65 Cb 1.19 0.58 -0.04 0.00 -1.52 0.00 0.00 31.29 31.50 2kjs h VAL 65 CO 0.34 0.16 0.52 1.23 0.02 0.00 0.00 177.57 179.84 2kjs h GLY 66 N 0.60 1.20 1.17 2.17 0.00 -1.55 -1.62 103.07 105.04 2kjs h GLY 66 Ca 0.16 -0.48 -0.06 0.00 0.00 0.00 0.00 47.33 46.96 2kjs h GLY 66 CO -0.03 0.47 0.20 -1.80 0.00 0.00 0.00 176.54 175.38 2kjs h ASP 67 N 1.14 0.97 -0.68 0.19 1.82 -1.73 -2.52 116.42 115.60 2kjs h ASP 67 Ca 0.30 -0.18 -0.02 0.00 -0.39 0.00 0.00 57.03 56.74 2kjs h ASP 67 Cb -0.08 -0.25 -0.03 0.00 0.68 0.00 0.00 39.33 39.65 2kjs h ASP 67 CO -0.06 0.91 0.34 0.25 -1.61 0.00 0.00 179.24 179.07 2kjs h LEU 68 N 1.00 0.88 -0.82 2.28 6.46 -0.44 -1.62 115.31 123.05 2kjs h LEU 68 Ca 0.22 -0.12 0.02 0.00 -0.12 0.00 0.00 57.88 57.88 2kjs h LEU 68 Cb 0.30 -0.22 -0.04 0.00 -0.73 0.00 0.00 40.66 39.96 2kjs h LEU 68 CO -0.01 0.75 0.53 0.00 -0.62 0.00 0.00 178.44 179.10 2kjs h ALA 69 N 1.16 1.06 -0.47 1.25 0.00 -0.94 -1.44 119.26 119.87 2kjs h ALA 69 Ca 0.23 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.04 2kjs h ALA 69 Cb 0.10 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 2kjs h ALA 69 CO -0.03 0.40 0.05 -0.44 0.00 0.00 0.00 179.25 179.23 2kjs h ASP 70 N 1.07 0.71 -0.67 0.00 3.32 -1.05 -2.54 116.42 117.26 2kjs h ASP 70 Ca 0.31 -0.14 -0.02 0.00 0.02 0.00 0.00 57.03 57.20 2kjs h ASP 70 Cb -0.07 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.27 2kjs h ASP 70 CO -0.09 0.74 0.33 0.25 -1.72 0.00 0.00 179.24 178.76 2kjs h LEU 71 N 0.71 0.88 -0.31 1.55 5.85 -0.33 -0.09 115.31 123.57 2kjs h LEU 71 Ca 0.15 -0.13 -0.00 0.00 0.84 0.00 0.00 57.88 58.74 2kjs h LEU 71 Cb 0.36 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 2kjs h LEU 71 CO 0.01 0.76 0.18 0.58 -0.34 0.00 0.00 178.44 179.63 2kjs h VAL 72 N 0.93 1.12 -0.45 1.05 2.07 -0.97 -1.66 116.25 118.34 2kjs h VAL 72 Ca 0.23 -0.30 -0.06 0.00 0.82 0.00 0.00 66.70 67.40 2kjs h VAL 72 Cb 0.11 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 30.61 2kjs h VAL 72 CO -0.03 0.12 0.04 0.44 0.02 0.00 0.00 177.57 178.16 2kjs h ASP 73 N 0.39 0.68 -0.11 0.57 3.32 -1.21 -1.43 116.42 118.64 2kjs h ASP 73 Ca 0.11 -0.14 -0.00 0.00 0.02 0.00 0.00 57.03 57.02 2kjs h ASP 73 Cb 0.03 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.40 2kjs h ASP 73 CO -0.02 0.72 0.06 0.50 -1.72 0.00 0.00 179.24 178.78 2kjs h LYS 74 N 0.68 0.16 -0.51 3.56 3.64 -0.54 0.12 116.57 123.69 2kjs h LYS 74 Ca 0.14 -0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.45 2kjs h LYS 74 Cb 0.36 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.13 2kjs h LYS 74 CO 0.01 0.19 0.11 0.87 -2.27 0.00 0.00 179.45 178.36 2kjs h LYS 75 N 0.08 0.82 -0.58 1.90 1.57 -1.13 0.23 116.57 119.46 2kjs h LYS 75 Ca 0.04 -0.20 -0.03 0.00 -1.87 0.00 0.00 60.65 58.59 2kjs h LYS 75 Cb 0.08 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.26 2kjs h LYS 75 CO -0.01 0.79 0.24 -0.07 -0.57 0.00 0.00 179.45 179.84 2kjs h LEU 76 N 0.71 0.79 -0.46 2.94 3.38 -1.09 0.11 115.31 121.68 2kjs h LEU 76 Ca 0.16 -0.16 -0.11 0.00 0.09 0.00 0.00 57.88 57.85 2kjs h LEU 76 Cb 0.35 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 2kjs h LEU 76 CO 0.00 0.74 -0.16 0.00 0.09 0.00 0.00 178.44 179.11 2kjs h ALA 77 N 1.09 0.64 -0.48 1.53 0.00 -0.60 -2.67 119.26 118.76 2kjs h ALA 77 Ca 0.19 -0.36 -0.09 0.00 0.00 0.00 0.00 54.91 54.66 2kjs h ALA 77 Cb 0.18 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 2kjs h ALA 77 CO -0.02 0.57 -0.05 0.00 0.00 0.00 0.00 179.25 179.75 2kjs h ARG 78 N 0.75 0.84 -0.75 0.00 2.47 -0.71 -2.54 114.38 114.45 2kjs h ARG 78 Ca 0.11 -0.26 -0.01 0.00 -1.26 0.00 0.00 59.98 58.56 2kjs h ARG 78 Cb 0.72 -0.08 -0.04 0.00 -1.65 0.00 0.00 29.97 28.92 2kjs h ARG 78 CO 0.05 0.88 0.43 -0.22 0.56 0.00 0.00 179.97 181.67 2kjs h LYS 79 N 0.77 1.03 -0.63 0.04 3.64 -0.66 0.41 116.57 121.17 2kjs h LYS 79 Ca 0.14 -0.11 -0.05 0.00 -1.27 0.00 0.00 60.65 59.36 2kjs h LYS 79 Cb 0.54 -0.21 -0.03 0.00 -0.41 0.00 0.00 32.23 32.13 2kjs h LYS 79 CO 0.03 0.75 0.22 -0.07 -2.27 0.00 0.00 179.45 178.11 2kjs h LEU 80 N 1.03 0.91 -0.08 5.20 3.38 -1.23 -1.96 115.31 122.55 2kjs h LEU 80 Ca 0.26 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2kjs h LEU 80 Cb 0.01 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.52 2kjs h LEU 80 CO -0.05 0.86 -0.09 -0.62 0.09 0.00 0.00 178.44 178.63 2kjs n GLU 81 N -4.39 0.36 -2.79 1.13 4.71 -0.98 -4.80 120.64 113.87 2kjs n GLU 81 Ca 0.04 -0.08 -0.41 0.00 -0.01 0.00 0.00 57.16 56.70 2kjs n GLU 81 Cb 0.20 -1.50 -0.03 0.00 -1.01 0.00 0.00 31.44 29.10 2kjs n GLU 81 CO 0.00 0.00 0.00 -1.58 0.09 0.00 0.00 177.13 175.64 2kjs s HIS 82 N -2.70 3.63 -0.17 -0.32 2.46 0.14 -5.04 115.29 113.29 2kjs s HIS 82 Ca 0.23 1.58 -0.07 0.00 0.47 0.00 0.00 55.06 57.26 2kjs s HIS 82 Cb 0.20 -3.04 -0.04 0.00 -0.13 0.00 0.00 32.58 29.56 2kjs s HIS 82 CO 0.51 -0.00 0.07 -1.01 -2.47 0.00 0.00 174.74 171.83 2kjs s HIS 83 N 1.03 3.27 -0.01 3.88 3.76 -1.26 -4.94 115.29 121.02 2kjs s HIS 83 Ca 0.48 0.11 -0.30 0.00 -0.15 0.00 0.00 55.06 55.20 2kjs s HIS 83 Cb -0.20 -2.06 -0.04 0.00 1.11 0.00 0.00 32.58 31.39 2kjs s HIS 83 CO 0.25 0.21 1.22 -1.58 -0.85 0.00 0.00 174.74 173.98 2kjs s HIS 84 N 0.23 3.24 -0.08 1.40 2.46 -1.26 -5.02 115.29 116.26 2kjs s HIS 84 Ca 0.04 1.21 -0.01 0.00 0.47 0.00 0.00 55.06 56.78 2kjs s HIS 84 Cb -0.12 -3.44 -0.03 0.00 -0.13 0.00 0.00 32.58 28.86 2kjs s HIS 84 CO 0.00 -1.39 -0.03 -1.01 -2.47 0.00 0.00 174.74 169.84 2kjs s HIS 85 N 1.85 3.06 -0.24 3.88 3.76 -1.26 -5.10 115.29 121.24 2kjs s HIS 85 Ca 0.57 0.10 -0.04 0.00 -0.15 0.00 0.00 55.06 55.54 2kjs s HIS 85 Cb -0.27 -1.76 0.01 0.00 1.11 0.00 0.00 32.58 31.66 2kjs s HIS 85 CO 0.25 0.39 -0.02 -1.58 -0.85 0.00 0.00 174.74 172.92 2kjs s HIS 86 N -0.78 3.03 0.00 1.40 2.46 -1.26 -5.35 115.29 114.78 2kjs s HIS 86 Ca 0.12 -1.14 0.00 0.00 0.47 0.00 0.00 55.06 54.51 2kjs s HIS 86 Cb -0.11 -2.12 0.00 0.00 -0.13 0.00 0.00 32.58 30.22 2kjs s HIS 86 CO 0.02 -0.61 0.00 1.58 -2.47 0.00 0.00 174.74 173.26